7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

C20H24ClFN2O — CID 66706483

IUPAC7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILESC[C@H](COCc1ccc(F)cc1)Nc1c(Cl)ccc2c1CCNCC2
InChIInChI=1S/C20H24ClFN2O/c1-14(12-25-13-15-2-5-17(22)6-3-15)24-20-18-9-11-23-10-8-16(18)4-7-19(20)21/h2-7,14,23-24H,8-13H2,1H3/t14-/m1/s1
InChIKeyPOOHJTUUKYZBSX-CQSZACIVSA-N
MW362.88 g/mol
LogP4.18
Rot. Bonds6

About 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (PubChem CID 66706483) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.

Molecular Properties

Compound Name7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
PubChem CID66706483
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC Name7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILESC[C@H](COCc1ccc(F)cc1)Nc1c(Cl)ccc2c1CCNCC2
InChIInChI=1S/C20H24ClFN2O/c1-14(12-25-13-15-2-5-17(22)6-3-15)24-20-18-9-11-23-10-8-16(18)4-7-19(20)21/h2-7,14,23-24H,8-13H2,1H3/t14-/m1/s1
InChIKeyPOOHJTUUKYZBSX-CQSZACIVSA-N
XLogP4.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The IUPAC name of 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (CID 66706483) is 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.
What is the SMILES notation for 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The canonical SMILES for 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is C[C@H](COCc1ccc(F)cc1)Nc1c(Cl)ccc2c1CCNCC2.
What is the InChIKey of 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The InChIKey is POOHJTUUKYZBSX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClFN2O/c1-14(12-25-13-15-2-5-17(22)6-3-15)24-20-18-9-11-23-10-8-16(18)4-7-19(20)21/h2-7,14,23-24H,8-13H2,1H3/t14-/m1/s1.
What are the key properties of 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine has a molecular weight of 362.88 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is sourced from PubChem (CID 66706483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).